# generated using pymatgen data_Zr6GaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.06866117 _cell_length_b 11.06866117 _cell_length_c 5.48470901 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6GaSe _chemical_formula_sum 'Zr24 Ga4 Se4' _cell_volume 671.96055100 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.89359223 0.58179933 0.03724646 1.0 Zr Zr1 1 0.10640777 0.41820067 0.03724646 1.0 Zr Zr2 1 0.91820067 0.39359223 0.53724646 1.0 Zr Zr3 1 0.08179933 0.60640777 0.53724646 1.0 Zr Zr4 1 0.60576590 0.91855863 0.46517134 1.0 Zr Zr5 1 0.39423410 0.08144137 0.46517134 1.0 Zr Zr6 1 0.58144137 0.10576590 0.96517134 1.0 Zr Zr7 1 0.41855863 0.89423410 0.96517134 1.0 Zr Zr8 1 0.85952712 0.02615697 0.71731847 1.0 Zr Zr9 1 0.14047288 0.97384303 0.71731847 1.0 Zr Zr10 1 0.47384303 0.35952712 0.21731847 1.0 Zr Zr11 1 0.52615697 0.64047288 0.21731847 1.0 Zr Zr12 1 0.63825790 0.47391538 0.78102119 1.0 Zr Zr13 1 0.36174210 0.52608462 0.78102119 1.0 Zr Zr14 1 0.02608462 0.13825790 0.28102119 1.0 Zr Zr15 1 0.97391538 0.86174210 0.28102119 1.0 Zr Zr16 1 0.28453521 0.18121727 0.99290474 1.0 Zr Zr17 1 0.71546479 0.81878273 0.99290474 1.0 Zr Zr18 1 0.31878273 0.78453521 0.49290474 1.0 Zr Zr19 1 0.68121727 0.21546479 0.49290474 1.0 Zr Zr20 1 0.21508990 0.31625924 0.50660137 1.0 Zr Zr21 1 0.78491010 0.68374076 0.50660137 1.0 Zr Zr22 1 0.18374076 0.71508990 0.00660137 1.0 Zr Zr23 1 0.81625924 0.28491010 0.00660137 1.0 Ga Ga24 1 0.70315462 0.45978383 0.28935107 1.0 Ga Ga25 1 0.29684538 0.54021617 0.28935107 1.0 Ga Ga26 1 0.04021617 0.20315462 0.78935107 1.0 Ga Ga27 1 0.95978383 0.79684538 0.78935107 1.0 Se Se28 1 0.79251407 0.04148211 0.21038337 1.0 Se Se29 1 0.20748593 0.95851789 0.21038337 1.0 Se Se30 1 0.45851789 0.29251407 0.71038337 1.0 Se Se31 1 0.54148211 0.70748593 0.71038337 1.0